affiliation not provided to SSRN
molecular dynamics, Zirconium oxide, Point defects, Adsorption, Diffusion, Surface
Molecular dynamics, Zirconium oxide, Point defects, Adsorption, Diffusion, Surface
W-Mo, Lattice, DOS, Phonon, Laser, DFPT
Zr2Fe alloy, oxygen pre-adsorbed Zr2Fe (101), hydrogen dissociation and diffusion mechanisms, DFT